4-[[(2-chloro-5-thiophen-2-ylpyrimidin-4-yl)amino]methyl]benzenesulfonamide

C15H13ClN4O2S2 — CID 58985681

IUPAC4-[[(2-chloro-5-thiophen-2-ylpyrimidin-4-yl)amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2nc(Cl)ncc2-c2cccs2)cc1
InChIInChI=1S/C15H13ClN4O2S2/c16-15-19-9-12(13-2-1-7-23-13)14(20-15)18-8-10-3-5-11(6-4-10)24(17,21)22/h1-7,9H,8H2,(H2,17,21,22)(H,18,19,20)
InChIKeyGVYQOWACOYCTQI-UHFFFAOYSA-N
MW380.88 g/mol
LogP3.12
Rot. Bonds5

About 4-[[(2-chloro-5-thiophen-2-ylpyrimidin-4-yl)amino]methyl]benzenesulfonamide

4-[[(2-chloro-5-thiophen-2-ylpyrimidin-4-yl)amino]methyl]benzenesulfonamide (PubChem CID 58985681) has the molecular formula C15H13ClN4O2S2 and a molecular weight of 380.88 g/mol. Its IUPAC name is 4-[[(2-chloro-5-thiophen-2-ylpyrimidin-4-yl)amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(2-chloro-5-thiophen-2-ylpyrimidin-4-yl)amino]methyl]benzenesulfonamide
PubChem CID58985681
Molecular FormulaC15H13ClN4O2S2
Molecular Weight380.88 g/mol
Exact Mass380.02
IUPAC Name4-[[(2-chloro-5-thiophen-2-ylpyrimidin-4-yl)amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2nc(Cl)ncc2-c2cccs2)cc1
InChIInChI=1S/C15H13ClN4O2S2/c16-15-19-9-12(13-2-1-7-23-13)14(20-15)18-8-10-3-5-11(6-4-10)24(17,21)22/h1-7,9H,8H2,(H2,17,21,22)(H,18,19,20)
InChIKeyGVYQOWACOYCTQI-UHFFFAOYSA-N
XLogP3.12
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-chloro-5-thiophen-2-ylpyrimidin-4-yl)amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[(2-chloro-5-thiophen-2-ylpyrimidin-4-yl)amino]methyl]benzenesulfonamide (CID 58985681) is 4-[[(2-chloro-5-thiophen-2-ylpyrimidin-4-yl)amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[(2-chloro-5-thiophen-2-ylpyrimidin-4-yl)amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[(2-chloro-5-thiophen-2-ylpyrimidin-4-yl)amino]methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CNc2nc(Cl)ncc2-c2cccs2)cc1.
What is the InChIKey of 4-[[(2-chloro-5-thiophen-2-ylpyrimidin-4-yl)amino]methyl]benzenesulfonamide?
The InChIKey is GVYQOWACOYCTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2S2/c16-15-19-9-12(13-2-1-7-23-13)14(20-15)18-8-10-3-5-11(6-4-10)24(17,21)22/h1-7,9H,8H2,(H2,17,21,22)(H,18,19,20).
What are the key properties of 4-[[(2-chloro-5-thiophen-2-ylpyrimidin-4-yl)amino]methyl]benzenesulfonamide?
4-[[(2-chloro-5-thiophen-2-ylpyrimidin-4-yl)amino]methyl]benzenesulfonamide has a molecular weight of 380.88 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-chloro-5-thiophen-2-ylpyrimidin-4-yl)amino]methyl]benzenesulfonamide is sourced from PubChem (CID 58985681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).